4-[(4-acetamidophenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-1-yl)pyrimidine-5-carboxamide

Systemtic Name: 4-[(4-acetamidophenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxidanylideneazepan-1-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(4-acetamidophenyl)methoxy]-2-indolin-1-yl-N-(2-oxoazepan-1-yl)pyrimidine-5-carboxamide CAS Name: 4-[(4-acetamidophenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(4-acetamidophenyl)methoxy]-2-(2,3-dihydroindol-1-yl)-N-(2-oxoazepan-1-yl)pyrimidine-5-carboxamide Traditional Name: 4-(4-acetamidobenzyl)oxy-2-indolin-1-yl-N-(2-ketoazepan-1-yl)pyrimidine-5-carboxamide Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)COC2=NC(=NC=C2C(=O)NN3CCCCCC3=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)COC2=NC(=NC=C2C(=O)NN3CCCCCC3=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C28H30N6O4/c1-19(35)30-22-12-10-20(11-13-22)18-38-27-23(26(37)32-34-15-6-2-3-9-25(34)36)17-29-28(31-27)33-16-14-21-7-4-5-8-24(21)33/h4-5,7-8,10-13,17H,2-3,6,9,14-16,18H2,1H3,(H,30,35)(H,32,37)